![Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate structure](/static/products/4443/444318-74-5.webp)
Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate
TL;DR: Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate (CAS 444318-74-5) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]benzoate
Also Known As: methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate, Methyl 4-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]benzoate
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 2.29648 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 568.18005 |
Chemical Identifiers
| CAS Number | 444318-74-5 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C\C1=CC=C(C=C1)C(=O)OC)/C#N |
Product Overview
Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate (CAS 444318-74-5), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: methyl 4-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]benzoate.
Chemical Property Profile of Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate
Property Insights of Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate
The XLogP value of 2.29648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate?
The CAS number of Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate is 444318-74-5.
What is the molecular formula of Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate?
The molecular formula of Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate is C16H18N2O3.
What is the molecular weight of Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate?
The molecular weight of Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate is 286.13 g/mol.
Where can I buy Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate?
You can request a quote for Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.